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arXiv:1006.3639 · Physical Review Letters

In-Medium Similarity Renormalization Group For Nuclei

Koshiroh Tsukiyama, S. K. Bogner, A. Schwenk

Published Jun 1, 2011• 273 citations
arXivHTMLPDF

Abstract

We present a new ab initio method that uses similarity renormalization group (SRG) techniques to continuously diagonalize nuclear many-body Hamiltonians. In contrast with applications of the SRG to two- and three-nucleon interactions in free space, we perform the SRG evolution "in medium" directly in the A-body system of interest. The in-medium approach has the advantage that one can approximately evolve 3,…,A-body operators using only two-body machinery based on normal-ordering techniques. The method is nonperturbative and can be tailored to problems ranging from the diagonalization of closed-shell nuclei to the construction of effective valence-shell Hamiltonians and operators. We present first results for the energies of 4He, 16O, and 40Ca, which have accuracies comparable to coupled-cluster calculations.

DOI
10.1103/physrevlett.106.222502

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We present a new ab initio method that uses similarity renormalization group (SRG) techniques to continuously diagonalize nuclear many-body Hamiltonians. In contrast with applications of the SRG to two- and three-nucleon interactions in free space, we perform the SRG evolution "in medium" directly in the A-body system of interest. The in-medium approach has the advantage that one can approximately evolve 3,…,A-body operators using only two-body machinery based on normal-ordering techniques. The method is nonperturbative and can be tailored to problems ranging from the diagonalization of closed-shell nuclei to the construction of effective valence-shell Hamiltonians and operators. We present first results for the energies of 4He, 16O, and 40Ca, which have accuracies comparable to coupled-cluster calculations.
The Similarity Renormalization Group (SRG) is investigated as a powerful yet practical method to modify nuclear potentials so as to reduce computational requirements for calculations of observables. The key feature of SRG transformations that leads to computational benefits is the decoupling of low-energy nuclear physics from high-energy details of the inter-nucleon interaction. We examine decoupling quantitatively for two-body observables and few-body binding energies. The universal nature of this decoupling is illustrated and errors from suppressing high-momentum modes above the decoupling scale are shown to be perturbatively small. To explore the SRG evolution of many-body forces, we use as a laboratory a one-dimensional system of bosons with short-range repulsion and mid-range attraction, which emulates realistic nuclear forces. The free-space SRG is implemented for few-body systems in a symmetrized harmonic oscillator basis using a recursive construction analogous to no-core shell model implementations. Building on one-dimensional results we performed the first practical evolution of three-dimensional many-body forces within the No-Core Shell Model basis. Results for the 3H binding energy are consistent with previous calculations involving momentum-space evolution of only two-body forces, and validate expectations from calculations in the one-dimensional oscillator basis. When applied to 4He calculations, the two- and three-body oscillator matrix elements yield rapid convergence of the ground-state energy with a small net contribution of the induced four-body force. The radius of light nuclei is also explored in the three-dimensional basis.
For many problems in nuclear, high-energy and solid-state physics a crucial step toward a solution involves a diagonalization or simplification of the Hamiltonian of a many-body quantum-mechanical system. Problems of interest include renormalization of the Hamiltonian to accommodate excluded basis spaces, decoupling of a model space region of special interest from irrelevant configurations, or near-diagonalization to invoke perturbative treatments. In such applications, the Similarity Renormalization Group (SRG) approach (or flow equations ) can provide solutions where more conventional methods fail. We show that when SRG employs a near symmetry of a system, utilizing the Casimir invariant operators, it evolves the Hamiltonian of the system toward a (block-)diagonal form that can be realized in terms of a finite number of integrity basis operators. In particular, for atomic nuclei, an SRG flow equation that utilizes the SU(3) symmetry, which often dominates the nuclear dynamics, is found to naturally evolve a nucleon-nucleon (NN) interaction toward a block-diagonal form. A remarkable consequence is that a renormalized SU(3)-preserving many-body Hamiltonian expressed in terms of only the SU(3) integrity basis realizes energy spectra identical to the ones of the original realistic NN interaction, which reflects the low-energy symmetries as well as symmetry-breaking patterns of quantum chromodynamics. Such a scheme is especially suitable for ab initio SU(3) symmetry-adapted shell model calculations, which can further allow for perturbative treatments of the nuclear interaction. Moreover, the use of symmetries dramatically reduces the size of the problem, as the flow equation can be rewritten in terms of SU(3) reduced matrix elements of the NN interaction. This is crucial for maintaining the unitarity of the SRG transformations that generate many-body interactions.
Abstract We present a pedagogical introduction to the in-medium similarity renormalization group (IMSRG) framework for ab initio calculations of nuclei. The IMSRG performs continuous unitary transformations of the nuclear many-body Hamiltonian in second-quantized form, which can be implemented with polynomial computational effort. Through suitably chosen generators, it is possible to extract eigenvalues of the Hamiltonian in a given nucleus, or drive the Hamiltonian matrix in configuration space to specific structures, e.g., band- or block-diagonal form. Exploiting this flexibility, we describe two complementary approaches for the description of closed- and open-shell nuclei: the first is the multireference IMSRG (MR-IMSRG), which is designed for the efficient calculation of nuclear ground-state properties. The second is the derivation of non-empirical valence-space interactions that can be used as input for nuclear shell model (i.e., configuration interaction (CI)) calculations. This IMSRG+shell model approach provides immediate access to excitation spectra, transitions, etc, but is limited in applicability by the factorial cost of the CI calculations. We review applications of the MR-IMSRG and IMSRG+shell model approaches to the calculation of ground-state properties for the oxygen, calcium, and nickel isotopic chains or the spectroscopy of nuclei in the lower sd shell, respectively, and present selected new results, e.g., for the ground- and excited state properties of neon isotopes.
We merge two successful ab initio nuclear-structure methods, the no-core shell model (NCSM) and the multireference in-medium similarity renormalization group (IM-SRG) to define a new many-body approach for the comprehensive description of ground and excited states of closed and open-shell nuclei. Building on the key advantages of the two methods-the decoupling of excitations at the many-body level in the IM-SRG and the access to arbitrary nuclei, eigenstates, and observables in the NCSM-their combination enables fully converged no-core calculations for an unprecedented range of nuclei and observables at moderate computational cost. We present applications in the carbon and oxygen isotopic chains, where conventional NCSM calculations are still feasible and provide an important benchmark. The efficiency and rapid convergence of the new approach make it ideally suited for ab initio studies of the complete spectroscopy of nuclei up into the medium-mass regime.
We present two new methods for performing ab initio calculations of excited states for closed-shell systems within the in-medium similarity renormalization group (IMSRG) framework. Both are based on combining the IMSRG with simple many-body methods commonly used to target excited states, such as the Tamm-Dancoff approximation (TDA) and equations-of-motion (EOM) techniques. In the first approach, a two-step sequential IMSRG transformation is used to drive the Hamiltonian to a form where a simple TDA calculation (i.e., diagonalization in the space of 1p1h1\mathrm{p}1\mathrm{h}1p1h excitations) becomes exact for a subset of eigenvalues. In the second approach, EOM techniques are applied to the IMSRG ground-state-decoupled Hamiltonian to access excited states. We perform proof-of-principle calculations for parabolic quantum dots in two dimensions and the closed-shell nuclei 16O^{16}\mathrm{O}16O and 22O^{22}\mathrm{O}22O. We find that the TDA-IMSRG approach gives better accuracy than the EOM-IMSRG when calculations converge, but it is otherwise lacking the versatility and numerical stability of the latter. Our calculated spectra are in reasonable agreement with analogous EOM-coupled-cluster calculations. This work paves the way for more interesting applications of the EOM-IMSRG approach to calculations of consistently evolved observables such as electromagnetic strength functions and nuclear matrix elements, and extensions to nuclei within one or two nucleons of a closed shell by generalizing the EOM ladder operator to include particle-number nonconserving terms.
The similarity renormalization group (SRG), based on the simple one-body free harmonic oscillator Hamiltonian, is applied to various nucleon-nucleon realistic interactions to investigate the unitarity of the SRG transformations. Two-body and three-body contributions to the SRG-evolved Hamiltonian are studied in the framework of spectral distribution theory for reasonable SRG cutoffs and in multiparticle systems, with up through 28 particles considered. The outcome points to the first evidence for the overall importance of three-body SRG-induced interactions and especially, of its two-body effective content in multinucleon systems, without the need for large-scale shell model calculations for many light to heavier nuclei.